N-{4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}isoleucine
Chemical Structure Depiction of
N-{4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}isoleucine
N-{4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}isoleucine
Compound characteristics
| Compound ID: | Y040-8649 |
| Compound Name: | N-{4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}isoleucine |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C22 H29 N3 O5 |
| Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC([C@H]1CC[C@@H](CC1)CN1C(c2ccccc2NC1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0578 |
| logD: | -1.5293 |
| logSw: | -2.933 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.118 |
| InChI Key: | JVACKGHJWHDABG-RMYJWEKJSA-N |